2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine

C19H20ClN5 — CID 53333570

IUPAC2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
SMILESC=CCN1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C19H20ClN5/c1-2-8-23-10-12-24(13-11-23)19-18-14-17(22-25(18)9-7-21-19)15-3-5-16(20)6-4-15/h2-7,9,14H,1,8,10-13H2
InChIKeyNWOIJFUTSWOLFO-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.36
Rot. Bonds4

About 2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine

2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 53333570) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
PubChem CID53333570
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
SMILESC=CCN1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C19H20ClN5/c1-2-8-23-10-12-24(13-11-23)19-18-14-17(22-25(18)9-7-21-19)15-3-5-16(20)6-4-15/h2-7,9,14H,1,8,10-13H2
InChIKeyNWOIJFUTSWOLFO-UHFFFAOYSA-N
XLogP3.36
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine (CID 53333570) is 2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine is C=CCN1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is NWOIJFUTSWOLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-2-8-23-10-12-24(13-11-23)19-18-14-17(22-25(18)9-7-21-19)15-3-5-16(20)6-4-15/h2-7,9,14H,1,8,10-13H2.
What are the key properties of 2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 353.86 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-prop-2-enylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 53333570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).